6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide

C19H20N2O3 — CID 51333086

IUPAC6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cn1
InChIInChI=1S/C19H20N2O3/c1-13-5-6-14(12-20-13)18(22)21-15-7-8-16-17(11-15)24-19(23-16)9-3-2-4-10-19/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,22)
InChIKeyINKWSMNVNKEHIQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.07
Rot. Bonds2

About 6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide

6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide (PubChem CID 51333086) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
PubChem CID51333086
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cn1
InChIInChI=1S/C19H20N2O3/c1-13-5-6-14(12-20-13)18(22)21-15-7-8-16-17(11-15)24-19(23-16)9-3-2-4-10-19/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,22)
InChIKeyINKWSMNVNKEHIQ-UHFFFAOYSA-N
XLogP4.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylpyridine-3-carboxamide
CID 18154829
3-fluoro-4-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26707616
3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26173901
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 36852413
1,3-dimethyl-2,4-dioxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 43044037
4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26173914
4-(methoxymethyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280468
5-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylthiophene-2-carboxamide
CID 29365310
2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide
CID 86913347
3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 29293266
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 46581715
2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide
CID 55997077

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide (CID 51333086) is 6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cn1.
What is the InChIKey of 6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide?
The InChIKey is INKWSMNVNKEHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-5-6-14(12-20-13)18(22)21-15-7-8-16-17(11-15)24-19(23-16)9-3-2-4-10-19/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,22).
What are the key properties of 6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide?
6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 51333086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).